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Upcdc30245

CAT: 0926-IAD35101-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-IAD35101-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1883351-01-6
Smiles
CC (C) N1CCN (CC1) CCNC2CCN (CC2) C3=CC=CC (=C3) C4=CC5=C (N4) C=CC (=C5) F
Molecular Formula
C28H38FN5
Molecular Weight
463.6 g/mol
Controlled
No

Chemical Information

Upcdc30245
CAS Number1883351-01-6
PubChem CID114286471
IUPAC Name1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
Molecular FormulaC28H38FN5
Molecular Weight463.6
XLogP4.7
Topological Polar Surface Area37.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity616
SMILES
CC(C)N1CCN(CC1)CCNC2CCN(CC2)C3=CC=CC(=C3)C4=CC5=C(N4)C=CC(=C5)F
InChI
InChI=1S/C28H38FN5/c1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28/h3-7,18-21,25,30-31H,8-17H2,1-2H3
InChIKey
LZHXZCVDLATFAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Upcdc30245
CAS: 1883351-01-6
CID: 114286471
Formula: C28H38FN5
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass463.31112440
Monoisotopic Mass463.31112440
Topological Polar Surface Area37.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3602921-01UPCDC30245

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